N-[4-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[4-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[4-[(2-amino-2-oxo-ethyl)sulfanylmethyl]thiazol-2-yl]-2-chloro-5-nitro-benzamide CAS Name: N-[4-[[(2-amino-2-oxoethyl)thio]methyl]-2-thiazolyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[4-[(2-amino-2-oxoethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[4-[[(2-amino-2-keto-ethyl)thio]methyl]thiazol-2-yl]-2-chloro-5-nitro-benzamide Formula: C13H11ClN4O4S2 MolecularWeight: 386.83384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)CSCC(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)CSCC(=O)N)Cl

InChI

InChI=1S/C13H11ClN4O4S2/c14-10-2-1-8(18(21)22)3-9(10)12(20)17-13-16-7(5-24-13)4-23-6-11(15)19/h1-3,5H,4,6H2,(H2,15,19)(H,16,17,20)